1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol

C18H14N2O3 — CID 2834528

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O3/c21-15-7-5-12-3-1-2-4-14(12)18(15)20-19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11,21H,9-10H2/b20-19+
InChIKeySMEHFTJOPGWRPS-FMQUCBEESA-N
MW306.32 g/mol
LogP4.73
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol

1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol (PubChem CID 2834528) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol
PubChem CID2834528
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O3/c21-15-7-5-12-3-1-2-4-14(12)18(15)20-19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11,21H,9-10H2/b20-19+
InChIKeySMEHFTJOPGWRPS-FMQUCBEESA-N
XLogP4.73
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol (CID 2834528) is 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol?
The InChIKey is SMEHFTJOPGWRPS-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O3/c21-15-7-5-12-3-1-2-4-14(12)18(15)20-19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11,21H,9-10H2/b20-19+.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol?
1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol has a molecular weight of 306.32 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 2834528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).